SCHEMBL2534154

SCHEMBL2534154

CS(=O)(=O)c1cccc2[c]cccc12

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
CDK2 P24941 1/20 0.32
CCR2 P41597 1/20 0.31
TTR P02766 1/20 0.31
PABPC1 P11940 1/20 0.31
EIF4H Q15056 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NSD2 O96028 1/20 0.30
BCAT2 O15382 1/20 0.30
KEAP1 Q14145 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4313898 0.87 BCAT2 (0.31) BCAT2KEAP1
SCHEMBL294489 0.81 CA2 (0.53) CA2CA1CA9CDK2TTR
SCHEMBL1807070 0.81 TTR (0.50) CA2CA1CA9CDK2TTR
SCHEMBL4070200 0.81 CA1 (0.32) CA2CA1CA9CDK2TTR
SCHEMBL13165739 0.77 CDK2 (0.46) CA2CA1CA9CDK2TTR
SCHEMBL6760625 0.74 KEAP1 (0.57) KEAP1
SCHEMBL6976387 0.72 BCAT2 (0.33) BCAT2
SCHEMBL3057169 0.72 HSD11B1 (0.33) BCAT2
SCHEMBL3835232 0.72 L3MBTL1 (0.35) BCAT2
SCHEMBL10030666 0.72 CYP1A2 (0.56) CA2CA1CA9CDK2TTR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1642898-B1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD KK (JP) 2013-03-27 EP disclosed
US-8044070-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2011-10-25 US disclosed
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD K.K. (JP) 2010-08-19 US disclosed
US-7595316-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-29 US disclosed
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2006-08-10 US disclosed
EP-1642898-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative HRH3, HRH4, HCRTR2 CA2 756/4885CA1 1810/4885CA9 2475/4885
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE HRH3, HRH4, HRH2 CA2 1284/4885CA1 2685/4885CA9 3124/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.